LAMMPS (2 Jun 2020)
  using 1 OpenMP thread(s) per MPI task

units           metal
atom_style      atomic
read_data       data.sigma5
  orthogonal box = (-90.27200752837744 -4.427188724235731e-07 0.0) to (90.27200752837744 88.54377448471462 17.5)
  4 by 1 by 1 MPI processor grid
  reading atoms ...
  25600 atoms
  read_data CPU = 0.025 secs

pair_style      eam
pair_coeff      * * Ni_u3.eam
Reading potential file Ni_u3.eam with DATE: 2007-06-11
timestep        0.001

fix integrator  all npt temp 750 750 0.1 iso 0 0 0.1
fix eco         all orient/eco 0.08 0.25 3.6 sigma5.ori

thermo          100
thermo_style    custom step temp etotal press vol f_eco
velocity        all create 750 18527782

#dump            save all custom 100 orient_eco.dump xs ys zs f_eco[1] f_eco[2]
#dump_modify     save sort id

run             1000
  fix orient/eco: cutoff=3.6 norm_fac=30.012843706295556 neighbors=18
Neighbor list info ...
  update every 1 steps, delay 10 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 6.8
  ghost atom cutoff = 6.8
  binsize = 3.4, bins = 54 27 6
  2 neighbor lists, perpetual/occasional/extra = 2 0 0
  (1) pair eam, perpetual, half/full from (2)
      attributes: half, newton on
      pair build: halffull/newton
      stencil: none
      bin: none
  (2) fix orient/eco, perpetual
      attributes: full, newton on
      pair build: full/bin/atomonly
      stencil: full/bin/3d
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 11.69 | 11.7 | 11.72 Mbytes
Step Temp TotEng Press Volume f_eco 
       0          750   -111027.95    15148.458    279755.85 8.749339e-10 
     100     422.2475   -110928.85    214.27204    285332.91   -1.0089186 
     200    388.79514   -110721.02    -481.9574    286443.13  -0.78446905 
     300    441.87285   -110478.56   -174.88288    286640.75   -1.1348357 
     400    486.71094    -110211.6    65.075638    287023.56    -1.495318 
     500    531.12815   -109923.33    97.309245    287552.73   -2.9498072 
     600    569.82126   -109622.61    -85.73157    288229.35   -4.2855812 
     700    615.84724   -109317.16   -52.508824    288799.86   -6.5214427 
     800    666.09015   -109018.62    38.120383    289305.37   -8.4745641 
     900    705.03939   -108738.66    263.39673    289867.87     -12.4514 
    1000    735.59866   -108500.52    242.46405    290353.65   -15.427653 
Loop time of 29.6634 on 4 procs for 1000 steps with 25600 atoms

Performance: 2.913 ns/day, 8.240 hours/ns, 33.712 timesteps/s
98.6% CPU use with 4 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 7.0794     | 7.1053     | 7.1325     |   0.7 | 23.95
Neigh   | 0.20947    | 0.21088    | 0.21231    |   0.2 |  0.71
Comm    | 0.15708    | 0.18471    | 0.22338    |   6.7 |  0.62
Output  | 0.00032616 | 0.00064683 | 0.0015936  |   0.0 |  0.00
Modify  | 22.105     | 22.118     | 22.139     |   0.3 | 74.56
Other   |            | 0.0437     |            |       |  0.15

Nlocal:    6400 ave 6421 max 6384 min
Histogram: 1 1 0 0 0 1 0 0 0 1
Nghost:    9872.5 ave 9892 max 9855 min
Histogram: 1 0 0 1 0 1 0 0 0 1
Neighs:    398314 ave 400737 max 395743 min
Histogram: 1 0 0 1 0 0 0 1 0 1
FullNghs:  796628 ave 801194 max 792566 min
Histogram: 1 0 1 0 0 0 1 0 0 1

Total # of neighbors = 3186510
Ave neighs/atom = 124.473
Neighbor list builds = 10
Dangerous builds = 0

Please see the log.cite file for references relevant to this simulation

Total wall time: 0:00:29
